Is GFN1-xTB supercell energy expected to be consistent with unitcell energy? #9
leifjacobson
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Calling attention to a question I had on issue 5
#5 (comment)
I previously found GFN2-xTB energies to have an inconsistency, a similar inconsistency seems to be found with GFN1-xTB. Is this expected?
Thanks for any insight you can provide.
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